N-(3-phenylmethoxyphenyl)-4-propoxybenzamide

C23H23NO3 — CID 17086082

IUPACN-(3-phenylmethoxyphenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C23H23NO3/c1-2-15-26-21-13-11-19(12-14-21)23(25)24-20-9-6-10-22(16-20)27-17-18-7-4-3-5-8-18/h3-14,16H,2,15,17H2,1H3,(H,24,25)
InChIKeyDLPSREMCSXYGNQ-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.31
Rot. Bonds8

About N-(3-phenylmethoxyphenyl)-4-propoxybenzamide

N-(3-phenylmethoxyphenyl)-4-propoxybenzamide (PubChem CID 17086082) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-(3-phenylmethoxyphenyl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(3-phenylmethoxyphenyl)-4-propoxybenzamide
PubChem CID17086082
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC NameN-(3-phenylmethoxyphenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C23H23NO3/c1-2-15-26-21-13-11-19(12-14-21)23(25)24-20-9-6-10-22(16-20)27-17-18-7-4-3-5-8-18/h3-14,16H,2,15,17H2,1H3,(H,24,25)
InChIKeyDLPSREMCSXYGNQ-UHFFFAOYSA-N
XLogP5.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide
CID 38825151
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide
CID 19628765
N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 17169886
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762
N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17222902
4-(2-phenoxyethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17086224
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylmethoxyphenyl)-4-propoxybenzamide?
The IUPAC name of N-(3-phenylmethoxyphenyl)-4-propoxybenzamide (CID 17086082) is N-(3-phenylmethoxyphenyl)-4-propoxybenzamide.
What is the SMILES notation for N-(3-phenylmethoxyphenyl)-4-propoxybenzamide?
The canonical SMILES for N-(3-phenylmethoxyphenyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of N-(3-phenylmethoxyphenyl)-4-propoxybenzamide?
The InChIKey is DLPSREMCSXYGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-2-15-26-21-13-11-19(12-14-21)23(25)24-20-9-6-10-22(16-20)27-17-18-7-4-3-5-8-18/h3-14,16H,2,15,17H2,1H3,(H,24,25).
What are the key properties of N-(3-phenylmethoxyphenyl)-4-propoxybenzamide?
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide has a molecular weight of 361.44 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylmethoxyphenyl)-4-propoxybenzamide is sourced from PubChem (CID 17086082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).